4PQ
Summary
| Name: | 5-hydroxy-L-tryptophan |
| Synonyms: | Oxitriptan |
| Formula: | C11 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 220.225 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-hydroxy-L-tryptophan |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(=O)O)Cc1cnc2ccc(cc12)O |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | LDCYZAJDBXYCGN-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c[nH]c2ccc(O)cc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1O)c(c[nH]2)CC(C(=O)O)N |
